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alchemistry / alchemlyb

the simple alchemistry library
https://alchemlyb.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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Switch tests to use `.loc` for all `delta_f_` comparisons #202

Closed dotsdl closed 1 year ago

dotsdl commented 2 years ago

Consistent with how we instruct users in our docs, we should avoid using iloc and instead use .loc in our tests to specify which states to get free energy differences from.

orbeckst commented 2 years ago

@xiki-tempula can we push this issue to a later milestone?

xiki-tempula commented 2 years ago

@orbeckst I have pushed it to 1.0.1